SCHEMBL9465425

SCHEMBL9465425

C=C(C)C(=O)NCCCN(CC)CC.CCP(=O)(O)O.CCP(=O)(O)O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.44
PAOX Q6QHF9 1/20 0.42
GAA P10253 1/20 0.42
LMNA P02545 3/20 0.37
MEN1 O00255 1/20 0.37
CYP2D6 P10635 1/20 0.37
KMT2A Q03164 1/20 0.37
ALOX15 P16050 1/20 0.36
ACKR3 P25106 1/20 0.36
HDAC3 O15379 1/20 0.36
HDAC4 P56524 1/20 0.36
HDAC1 Q13547 1/20 0.36
HDAC7 Q8WUI4 1/20 0.36
HDAC2 Q92769 1/20 0.36
HDAC10 Q969S8 1/20 0.36
HDAC11 Q96DB2 1/20 0.36
HDAC8 Q9BY41 1/20 0.36
HDAC6 Q9UBN7 1/20 0.36
HDAC9 Q9UKV0 1/20 0.36
HDAC5 Q9UQL6 1/20 0.36

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL93199 0.91 ALDH1A1 (0.51) ALDH1A1PAOXGAALMNAMEN1
Hydrochloric Acid SCHEMBL10636930 0.89 ALDH1A1 (0.50) ALDH1A1PAOXGAALMNAMEN1
SCHEMBL7805718 0.87 PAOX (0.50) ALDH1A1PAOXGAALMNAMEN1
Chloromethane SCHEMBL1425450 0.87 ALDH1A1 (0.49) ALDH1A1PAOXGAALMNAMEN1
SCHEMBL109907 0.85 PAOX (0.47) ALDH1A1PAOXGAALMNAMEN1
SCHEMBL5444884 0.84 ALDH1A1 (0.46) ALDH1A1PAOXGAALMNAMEN1
SCHEMBL13422981 0.84 KDM4E (0.35) ALDH1A1PAOXGAAKDM4EMAPK1
SCHEMBL8145686 0.84 KDM4E (0.48) ALDH1A1PAOXGAALMNAALOX15
SCHEMBL110059 0.84 PAOX (0.50) ALDH1A1PAOXGAALMNAALOX15
SCHEMBL489415 0.84 PAOX (0.50) ALDH1A1PAOXGAALMNAALOX15

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5221582-A Binder containing hydrophilic groups NIPPON ZEON CO., LTD. (JP) 1993-06-22 US disclosed